2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide

C21H26N2O3S — CID 108553940

IUPAC2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(C(=O)Cc3cccs3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-26-18-7-5-16(6-8-18)14-20(24)22-17-9-11-23(12-10-17)21(25)15-19-4-3-13-27-19/h3-8,13,17H,2,9-12,14-15H2,1H3,(H,22,24)
InChIKeyKXMJHEXAFPKBEZ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.04
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide

2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide (PubChem CID 108553940) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
PubChem CID108553940
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(C(=O)Cc3cccs3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-26-18-7-5-16(6-8-18)14-20(24)22-17-9-11-23(12-10-17)21(25)15-19-4-3-13-27-19/h3-8,13,17H,2,9-12,14-15H2,1H3,(H,22,24)
InChIKeyKXMJHEXAFPKBEZ-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555920
2-(4-ethoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108553957
2-(4-chlorophenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108554335
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
CID 108554925
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108548382
phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
CID 110820702
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide (CID 108553940) is 2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide is CCOc1ccc(CC(=O)NC2CCN(C(=O)Cc3cccs3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide?
The InChIKey is KXMJHEXAFPKBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-2-26-18-7-5-16(6-8-18)14-20(24)22-17-9-11-23(12-10-17)21(25)15-19-4-3-13-27-19/h3-8,13,17H,2,9-12,14-15H2,1H3,(H,22,24).
What are the key properties of 2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide?
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108553940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).